Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4793151 | 0.82 | PTGES2 (0.35) | PTGS2 | |
| SCHEMBL4792177 | 0.80 | CYP2A6 (0.37) | PTGS2 | |
| SCHEMBL4791372 | 0.80 | GBA1 (0.40) | — | |
| SCHEMBL4790340 | 0.79 | CYP2A6 (0.42) | — | |
| SCHEMBL4793066 | 0.78 | PTGS2 (0.40) | PTGS2PTGS1KCNH2FLT3IDO1 | |
| SCHEMBL4792984 | 0.78 | PTGS2 (0.44) | PTGS2PTGS1KCNH2FLT3IDO1 | |
| SCHEMBL1562129 | 0.76 | PTGS2 (0.42) | PTGS2PTGS1KCNH2FLT3IDO1 | |
| Hydrochloric Acid SCHEMBL1278316 | 0.75 | PTGS2 (0.41) | PTGS2PTGS1KCNH2FLT3IDO1 | |
| SCHEMBL9988101 | 0.75 | NAMPT (0.45) | PTGS2 | |
| SCHEMBL1278217 | 0.74 | PTGS2 (0.37) | PTGS2SLC22A12FLT3IDO1TDO2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919865-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026916-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-03-08 | — | — | WO | disclosed |